Geometry & MOs

Info

ID:	393409
PubChem CID:	135020475
Reduced:	SN2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	345.107319
ΔH_f, kcal/mol:	125.27
Dipole, Da:	4.0
IP(EA), eV:	-9.15(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S,6R)-6-acetamido-5-azidocyclohex-2-en-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C#CN2C=CN=C2

DOS

IR

Vibrations